Modeling transport properties of fluids (viscosity, thermal conductivity, diffusion coefficients) based on entropy scaling and the Chapman-Enskog theory

Framework for the Simulation of Temperature Dependent Semiconductor Parameters in Silicon Solar Cells and their Respective Impact on the Current Density-Voltage Characteristic

Two solutions, written in MATLAB, for solving the viscous Burger's equation. They are both spectral methods: the first is a Fourier Galerkin method, and the second is Collocation on the Tchebyshev-Gauß-Lobatto points.

Library for diffusion trajectory analysis

Implementation of corrections for diffusion coefficients in membrane simulations.

Python code to fit single-angle dynamic light scattering data using the Tikhonov Philips regularisation

Scripts for the analysis of interface-perpendicular diffusion in confined film or slit-pore geometries

Particle tracking and MSD calculation application for teaching physical experiments at Fudan University.

A simple toolkit based on Stochastic Analysis to model kinetics on free energy profiles

NanoTrackJ is an ImageJ/Fiji plugin to characterize the size of nanoparticles by its diffusion trajectories.

Analyze experimental tracking data using a maximum likelihood estimator (MLE) to extract translational diffusion coefficients.

Simulation of Drug Delivery Diffusion Processes in Polymer-Based Nanopharmaceuticals considering Matrix Degradation using FEniCS Legacy.

Determines the diffusion coefficient of chloride through concrete by least-squares fitting

Calculate position-dependent diffusion coefficients in one and two dimensions from collective variables trajectories.

Tool for calculating swelling tablet eroding front's diffusion rate D and the rate of the swelling k from time series of either T2-maps or MRI images in FDF or Text Image format. (Python 3)

A Python toolkit designed for managing output files produced by LAMMPS, a Molecular Dynamics package.

Estimation of Diffusion Coefficients

Convert XYZ data to bond lengths & angles, calculate contacts, planes, dihedral angles, ring parameters, CShM, VdW-Volume and area, several molecular radii & diffusion coefficients, and print tables